SCHEMBL3082890

SCHEMBL3082890

C=CC(Br)[C@H]1O[C@@H](n2cc(Br)c(=O)[nH]c2=O)C[C@@H]1NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TK2 O00142 1/20 0.37
PYGM P11217 1/20 0.35
TK1 P04183 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3072218 0.85 ALDH1A1 (0.36) ALDH1A1POLBKMT2ASMN1; SMN2TK2
SCHEMBL3066357 0.82 SMN1; SMN2 (0.45) ALDH1A1POLBKMT2ASMN1; SMN2PYGM
SCHEMBL3082908 0.81 SMN1; SMN2 (0.46) ALDH1A1POLBKMT2ASMN1; SMN2PYGM
SCHEMBL3071139 0.80 SMN1; SMN2 (0.45) ALDH1A1POLBKMT2ASMN1; SMN2PYGM
SCHEMBL3078011 0.79 TK2 (0.44) ALDH1A1POLBKMT2ASMN1; SMN2TK2
SCHEMBL3090119 0.78 TK1 (0.41) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL3085747 0.78 ALDH1A1 (0.39) ALDH1A1POLBKMT2ASMN1; SMN2PYGM
SCHEMBL3076874 0.75 SMN1; SMN2 (0.44) ALDH1A1POLBKMT2ASMN1; SMN2PYGM
SCHEMBL3078489 0.74 ALDH1A1 (0.40) ALDH1A1POLBKMT2ASMN1; SMN2PYGM
SCHEMBL3065260 0.74 SMN1; SMN2 (0.45) ALDH1A1POLBKMT2ASMN1; SMN2PYGM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054406-B1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESPROTECT GMBH (DE) 2015-10-07 EP disclosed
US-8492537-B2 Nucleosides for suppressing or reducing the development of resistance in cytostatic therapy RESPROTECT GMBH (DE) 2013-07-23 US disclosed
US-20100227834-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESprotech GmbH (DE) 2010-09-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100227834-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY TYMP, ENTPD5, NTPCR ALDH1A1 1238/4885POLB 288/4885KMT2A 2577/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.